1-[4-[(E)-iodoiminomethyl]phenyl]ethanone

C9H8INO — CID 143277433

IUPAC1-[4-[(E)-iodoiminomethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=N/I)cc1
InChIInChI=1S/C9H8INO/c1-7(12)9-4-2-8(3-5-9)6-11-10/h2-6H,1H3/b11-6+
InChIKeyBUWSDKXWMXIREM-IZZDOVSWSA-N
MW273.07 g/mol
LogP2.66
Rot. Bonds2

About 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone

1-[4-[(E)-iodoiminomethyl]phenyl]ethanone (PubChem CID 143277433) has the molecular formula C9H8INO and a molecular weight of 273.07 g/mol. Its IUPAC name is 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-iodoiminomethyl]phenyl]ethanone
PubChem CID143277433
Molecular FormulaC9H8INO
Molecular Weight273.07 g/mol
Exact Mass272.97
IUPAC Name1-[4-[(E)-iodoiminomethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=N/I)cc1
InChIInChI=1S/C9H8INO/c1-7(12)9-4-2-8(3-5-9)6-11-10/h2-6H,1H3/b11-6+
InChIKeyBUWSDKXWMXIREM-IZZDOVSWSA-N
XLogP2.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 139244857
CID 139244857
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone
CID 4017717
3-(4-acetylphenyl)-2-methylprop-2-enoic acid
CID 67022362
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
ethane;1-(4-iodophenyl)ethanone
CID 159760217
1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone
CID 67406412
(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
CID 42611107
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone (CID 143277433) is 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone is CC(=O)c1ccc(/C=N/I)cc1.
What is the InChIKey of 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone?
The InChIKey is BUWSDKXWMXIREM-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H8INO/c1-7(12)9-4-2-8(3-5-9)6-11-10/h2-6H,1H3/b11-6+.
What are the key properties of 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone?
1-[4-[(E)-iodoiminomethyl]phenyl]ethanone has a molecular weight of 273.07 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-iodoiminomethyl]phenyl]ethanone is sourced from PubChem (CID 143277433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).